UCSF

ZINC54992181

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 9.28 -37.28 1 4 1 26 355.502 7
Lo Low (pH 4.5-6) 3.60 9.27 -38.2 1 4 1 26 355.502 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )